tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate

C12H22N2O3 — CID 131606550

IUPACtert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1COC2(CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14(4)9-5-12(16-6-9)7-13-8-12/h9,13H,5-8H2,1-4H3
InChIKeyHEBLIXDHKNTGJP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds1

About tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate

tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate (PubChem CID 131606550) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
PubChem CID131606550
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1COC2(CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14(4)9-5-12(16-6-9)7-13-8-12/h9,13H,5-8H2,1-4H3
InChIKeyHEBLIXDHKNTGJP-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate (CID 131606550) is tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate is CN(C(=O)OC(C)(C)C)C1COC2(CNC2)C1.
What is the InChIKey of tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
The InChIKey is HEBLIXDHKNTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14(4)9-5-12(16-6-9)7-13-8-12/h9,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate?
tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate is sourced from PubChem (CID 131606550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).